Information from the InChI

There are no matching entries in the database for this IUPAC International Chemical Identifier. The following information was obtained from the identifier.

• Formula: C₁₀H₁₄O₂
• Molecular weight: 166.2170
• IUPAC Standard InChI:
  • InChI=1S/C10H14O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-9H,3-4H2,1-2H3/t6-,8-,9-/m0/s1
• IUPAC Standard InChIKey: ZDKZHVNKFOXMND-XVYDVKMFSA-N
• Connectivity:
• 2-d Mol File from the identifier
• Canonical atom numbers:
  Note: stereochemistry is currently not indicated in the items above.
• Stereoisomers:
  • (4aR,7S,7aS)-4,7-Dimethyl-5,6,7,7a-tetrahydrocyclopenta[c]pyran-1(4aH)-one
  • (4aS,7S,7aR)-4,7-Dimethyl-5,6,7,7a-tetrahydrocyclopenta[c]pyran-1(4aH)-one
  • Nepetalactone
  • 4aα,7α,7aα-Nepetalactone
  • 4aβ,7α,7aα-Nepetalactone
  • 4aα,7α,7aβ-Nepetalactone
  • 4aβ,7α,7aβ-Nepetalactone
  • 4aα,7β,7aβ-Nepetalactone
  • epi-Nepeta lactone

Contents of the identifier

Identifier version: 1S

Main section

• Formula: C10H14O2
• Connectivity: 1-6-3-4-8-7(2)5-12-10(11)9(6)8
• Hydrogen: 5-6,8-9H,3-4H2,1-2H3
• sp³ Stereo: 6-,8-,9-
• Stereo type: 1